Geometry & MOs

Info

ID:	321803
PubChem CID:	126667000
Reduced:	O2F3N6C18H19 (1)
Stoich.:	A2B3C6D18E19 (1)
Weight, g/mol:	418.156495
ΔH_f, kcal/mol:	-128.57
Dipole, Da:	8.15
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,5-difluorophenyl)-2-hydroxyethyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H]([C@H]1NC2=NC=NC3=NNC(C32)C(=O)NCC4=C(C=CC(=C4)F)F)O)F

DOS

IR

Vibrations